(2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(6-fluoranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(6-fluoranyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-(6-fluoro-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetate Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)F)C(=O)[O-])CCC#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)F)C(=O)[O-])CCC#N

InChI

InChI=1S/C17H19FN4O2/c18-12-2-3-13-14(11-20-15(13)10-12)16(17(23)24)22-8-6-21(7-9-22)5-1-4-19/h2-3,10-11,16,20H,1,5-9H2,(H,23,24)/t16-/m1/s1